#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:00:44 +0300 (Sun, 03 Apr 2016) $
#$Revision: 180941 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/21/2202130.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2202130_Fobs
loop_
_publ_author_name
'Okabe, Nobuo'
'Muranishi, Yasunori'
_publ_section_title
;
 <i>trans</i>-Diaquabis(isoquinoline-1-carboxylato-\k^2^<i>N,O</i>)zinc(II)
 dihydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m247
_journal_page_last               m248
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cod_data_source_file            ob6235Isup2.hkl
_cod_data_source_block           I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_F_squared_calc
_refln_observed_status
0 0 2 14095.49 726.01 14666.36 o
2 0 0 90.00 9.54 110.84 o
2 0 -2 5582.81 291.06 5843.92 o
0 1 1 8617.88 480.42 10007.55 o
1 1 0 692.21 41.28 733.21 o
1 0 -3 2962.20 148.94 2871.99 o
1 1 -1 629.39 36.65 597.95 o
1 1 1 310.48 22.80 252.14 o
2 0 2 49.77 7.23 37.09 o
1 0 3 18712.97 986.97 20144.51 o
0 1 2 1612.64 80.99 1462.58 o
1 1 -2 147.70 14.95 196.56 o
3 0 -1 53.59 7.24 49.61 o
2 1 0 289.82 22.85 296.00 o
1 1 2 12393.46 642.91 12971.57 o
2 1 -1 8560.29 425.40 8357.18 o
2 1 1 825.62 48.17 854.16 o
3 0 1 570.52 35.84 579.94 o
0 0 4 16.75 15.54 12.82 o
2 1 -2 4202.94 208.39 4010.86 o
0 1 3 1636.62 85.44 1564.87 o
1 1 -3 1304.54 70.64 1294.48 o
2 1 2 6422.51 322.01 6301.66 o
1 1 3 14497.23 733.63 14613.07 o
2 0 -4 88.97 9.16 98.51 o
3 0 -3 4070.19 217.37 4342.77 o
2 1 -3 -7.18 14.30 12.07 o
3 1 0 27.82 6.75 36.09 o
3 1 -1 69.88 8.04 76.70 o
3 1 1 770.30 46.26 800.90 o
3 1 -2 4981.31 249.52 4833.48 o
0 1 4 118.22 12.06 129.84 o
1 1 -4 524.30 35.54 565.61 o
4 0 0 3580.45 192.70 3832.90 o
2 0 4 180.87 19.25 182.38 o
1 0 -5 6495.24 325.86 6361.98 o
2 1 3 510.60 34.57 535.21 o
3 0 3 434.45 28.90 403.75 o
4 0 -2 4567.00 239.68 4743.86 o
1 1 4 17800.26 882.70 17402.78 o
2 1 -4 3557.16 178.03 3380.11 o
3 1 2 2870.87 147.24 2797.06 o
3 1 -3 1530.77 80.06 1437.07 o
1 0 5 911.78 52.14 873.02 o
4 0 2 577.62 36.14 532.64 o
0 2 0 -3.15 14.83 7.63 o
4 1 -1 -20.86 16.20 19.04 o
4 1 0 47.72 7.45 63.27 o
0 2 1 250.98 24.25 249.93 o
2 1 4 24.55 7.28 31.00 o
1 1 -5 1520.33 77.69 1328.56 o
0 1 5 2120.05 110.02 2011.75 o
1 2 0 577.52 36.46 550.45 o
3 1 3 -15.31 15.33 4.22 o
3 1 -4 1572.94 84.16 1529.24 o
3 0 -5 133.77 13.51 115.39 o
1 2 -1 2201.96 120.54 2310.62 o
4 1 -2 103.19 10.90 92.82 o
1 2 1 13.24 15.51 6.72 o
4 1 1 4968.58 248.20 4765.20 o
4 0 -4 4025.31 214.41 4228.33 o
0 2 2 59.38 8.33 56.70 o
2 1 -5 1935.04 106.54 2016.58 o
0 0 6 17.81 16.68 14.46 o
1 1 5 3028.50 153.86 2866.64 o
1 2 -2 11.84 8.89 20.52 o
4 1 -3 1922.43 104.31 1948.65 o
2 2 0 -4.74 16.22 31.44 o
5 0 -1 1094.00 66.99 1245.79 o
1 2 2 130.30 12.19 123.33 o
2 0 -6 5404.26 275.36 5350.21 o
2 2 -1 489.86 34.06 489.47 o
4 1 2 1578.02 82.92 1452.36 o
2 2 1 117.86 11.92 125.70 o
2 2 -2 12.86 11.50 35.42 o
0 2 3 1171.61 63.83 1037.42 o
5 0 1 181.46 19.89 156.06 o
1 2 -3 249.52 24.04 268.78 o
3 1 4 34.29 7.55 50.84 o
3 1 -5 741.33 46.05 744.26 o
2 1 5 3355.59 173.70 3296.45 o
5 0 -3 14402.91 718.45 14141.23 o
1 2 3 9137.34 466.23 9190.89 o
2 2 2 4561.85 238.84 4662.77 o
4 1 -4 862.71 49.54 777.77 o
1 1 -6 200.22 21.01 139.21 o
3 0 5 3978.98 208.36 4031.58 o
0 1 6 1201.33 70.12 1222.51 o
2 2 -3 1381.38 73.44 1248.75 o
4 1 3 1490.41 78.75 1359.27 o
3 2 0 382.72 27.97 313.14 o
3 2 -1 2095.98 109.09 1977.31 o
5 1 -1 17.33 15.73 4.19 o
4 0 4 444.65 33.67 497.98 o
2 0 6 2717.47 144.88 2730.46 o
2 1 -6 -22.88 16.65 3.03 o
5 1 0 3034.96 163.68 3164.60 o
5 1 -2 2910.35 149.34 2782.99 o
1 1 6 3027.55 152.72 2791.01 o
3 2 1 5494.98 281.85 5471.79 o
3 2 -2 19.24 6.94 2.88 o
0 2 4 8355.06 419.16 8142.68 o
1 2 -4 455.32 34.06 471.22 o
1 0 -7 576.35 39.56 586.64 o
2 2 3 245.60 24.08 225.67 o
5 1 1 16.28 15.89 11.27 o
5 1 -3 2135.78 109.21 1926.16 o
1 2 4 612.15 38.23 481.62 o
4 1 -5 1420.67 79.77 1422.14 o
2 2 -4 178.46 16.42 182.87 o
3 2 2 13.38 9.47 0.77 o
3 2 -3 2151.13 115.68 2134.40 o
3 1 5 47.39 8.08 36.53 o
3 1 -6 3131.28 166.47 3175.20 o
5 0 3 154.56 15.58 171.54 o
4 0 -6 6208.52 302.74 5722.83 o
1 0 7 4255.74 215.30 4053.50 o
5 1 2 475.32 34.84 492.94 o
4 1 4 126.53 12.76 127.01 o
2 1 6 2607.23 129.95 2278.53 o
5 0 -5 7072.26 355.29 6861.08 o
6 0 0 997.60 62.52 1097.18 o
6 0 -2 1197.90 71.18 1261.88 o
3 0 -7 1280.70 71.94 1229.28 o
5 1 -4 5230.89 262.50 4996.17 o
1 1 -7 2485.19 129.55 2359.07 o
4 2 -1 69.41 8.35 56.04 o
4 2 0 4206.71 219.56 4226.22 o
2 2 4 3234.31 169.01 3171.08 o
1 2 -5 402.37 35.28 533.19 o
0 2 5 911.35 53.36 786.40 o
0 1 7 1628.69 95.56 1753.67 o
3 2 3 3081.69 160.33 2993.79 o
3 2 -4 246.32 25.49 247.37 o
4 2 -2 81.14 8.98 98.04 o
2 1 -7 212.98 19.59 249.97 o
4 2 1 1396.54 72.16 1145.79 o
2 2 -5 109.26 11.07 111.55 o
1 2 5 4834.51 245.16 4644.50 o
5 1 3 7.05 15.69 0.71 o
4 1 -6 135.54 13.04 125.26 o
1 1 7 1014.71 57.52 857.81 o
4 2 -3 497.31 35.23 447.32 o
6 1 -1 7531.25 378.12 7299.22 o
4 2 2 5579.54 278.94 5288.45 o
5 1 -5 755.97 46.31 696.75 o
6 0 2 646.28 44.53 686.69 o
6 1 0 68.65 8.55 64.70 o
6 1 -2 14.04 16.96 1.70 o
6 0 -4 250.91 27.44 340.97 o
3 1 6 1385.62 83.14 1476.05 o
3 1 -7 52.54 8.23 46.74 o
0 0 8 198.70 19.86 237.64 o
4 1 5 3536.43 185.72 3507.72 o
2 0 -8 2784.75 150.86 2846.38 o
3 2 4 389.53 31.89 373.86 o
3 2 -5 868.17 53.86 855.40 o
2 2 5 335.71 30.24 317.30 o
6 1 1 1799.69 100.11 1792.05 o
6 1 -3 1111.86 65.46 1087.53 o
4 2 -4 1813.99 100.86 1817.34 o
1 2 -6 39.48 8.55 66.77 o
2 1 7 3225.71 167.65 3093.08 o
0 2 6 1032.82 61.95 992.84 o
4 0 6 1540.57 87.10 1506.91 o
5 1 4 4279.90 223.31 4263.75 o
4 2 3 546.51 36.91 453.08 o
5 2 -1 939.91 60.54 1049.63 o
3 0 7 951.77 62.63 1065.11 o
2 2 -6 2412.77 128.87 2344.02 o
5 2 0 166.80 16.36 115.20 o
1 1 -8 1571.67 89.06 1551.19 o
5 2 -2 63.76 8.62 72.74 o
1 2 6 149.42 15.03 148.32 o
6 1 2 8.14 17.16 0.23 o
6 1 -4 -7.65 17.94 1.41 o
5 0 5 4757.44 241.78 4556.71 o
0 1 8 1296.56 71.55 1116.59 o
4 1 -7 6181.89 311.21 5940.19 o
0 3 1 2297.00 132.36 2498.51 o
5 1 -6 205.03 18.01 188.45 o
2 1 -8 270.05 25.83 211.78 o
5 2 1 891.36 57.78 972.13 o
1 3 0 2756.41 154.20 2952.98 o
1 3 -1 76.70 9.09 67.52 o
1 3 1 8.58 17.38 6.17 o
7 0 -1 2365.17 133.18 2522.60 o
5 2 -3 1462.65 81.09 1381.55 o
4 2 -5 267.20 27.00 244.51 o
2 0 8 918.23 60.62 974.29 o
0 3 2 83.18 10.58 104.71 o
3 2 5 672.74 45.63 668.39 o
3 2 -6 12.39 16.01 0.17 o
5 0 -7 236.14 24.33 272.31 o
1 1 8 1715.46 94.38 1602.37 o
1 3 -2 1698.47 95.76 1690.14 o
4 1 6 -5.68 16.63 0.09 o
2 3 0 215.60 23.95 209.85 o
5 2 2 287.26 26.26 243.39 o
1 3 2 1158.94 70.11 1184.33 o
7 0 -3 858.96 58.41 1012.86 o
3 1 7 206.36 19.50 199.72 o
4 2 4 2334.40 121.85 2155.38 o
3 1 -8 1610.21 93.29 1656.82 o
2 2 6 10647.88 535.13 10391.75 o
2 3 -1 137.95 14.56 168.60 o
4 0 -8 1922.41 105.93 1879.93 o
6 1 3 382.88 34.06 468.97 o
6 1 -5 2143.65 122.86 2291.13 o
7 0 1 746.88 48.81 736.79 o
2 3 1 800.48 53.10 817.40 o
6 0 4 536.63 41.60 636.58 o
1 0 -9 2497.65 133.00 2388.75 o
6 0 -6 10.37 17.00 35.97 o
5 1 5 924.20 56.75 819.15 o
5 2 -4 97.30 9.78 81.89 o
1 2 -7 -5.14 17.72 12.47 o
2 3 -2 1273.93 74.17 1260.16 o
0 3 3 1926.72 110.84 1993.17 o
0 2 7 12.19 17.93 6.47 o
1 3 -3 41.86 8.52 41.53 o
2 2 -7 2.95 18.36 10.21 o
7 1 -1 1949.14 106.03 1853.84 o
7 1 -2 1069.90 68.84 1206.40 o
1 3 3 325.84 30.97 339.96 o
2 3 2 5.76 16.92 5.17 o
2 1 8 70.85 10.34 88.17 o
7 1 0 157.03 15.55 181.07 o
5 1 -7 -20.96 19.51 6.15 o
5 2 3 1913.65 109.46 1975.28 o
4 2 -6 2520.55 134.40 2422.75 o
1 2 7 2047.24 115.92 2074.41 o
2 3 -3 547.33 42.98 636.48 o
3 3 0 210.90 20.57 264.09 o
3 3 -1 1277.99 73.16 1178.82 o
1 0 9 1514.91 85.22 1417.49 o
7 1 -3 653.92 44.33 611.61 o
3 0 -9 3549.65 194.01 3702.13 o
4 1 -8 916.21 58.20 888.14 o
6 2 -1 277.00 29.17 280.84 o
7 1 1 -12.27 17.22 0.35 o
5 2 -5 1140.43 70.52 1177.57 o
6 2 0 4174.90 213.52 3962.27 o
3 3 1 166.56 17.96 161.55 o
3 3 -2 3695.12 195.05 3652.68 o
6 1 4 458.18 36.26 428.21 o
6 2 -2 545.98 40.61 527.90 o
0 3 4 7.00 19.65 0.80 o
1 1 -9 286.16 22.73 277.38 o
3 2 6 1453.75 86.06 1470.97 o
6 1 -6 653.83 43.39 580.84 o
1 3 -4 1313.42 82.88 1487.80 o
3 2 -7 1589.86 93.59 1651.77 o
4 2 5 0.94 17.50 1.09 o
2 3 3 1753.90 97.89 1691.18 o
0 1 9 253.55 28.30 264.66 o
7 0 -5 576.47 44.57 654.00 o
2 1 -9 703.42 48.06 677.64 o
1 3 4 635.90 46.81 676.41 o
6 2 1 830.04 51.42 746.48 o
7 1 -4 1317.34 78.23 1325.98 o
6 2 -3 19.85 18.29 22.74 o
4 1 7 753.24 51.99 786.66 o
2 3 -4 795.90 52.36 738.22 o
3 3 2 1065.15 67.02 1092.32 o
3 3 -3 557.76 42.29 570.72 o
2 2 7 1001.81 62.59 937.70 o
7 0 3 2774.39 151.79 2813.54 o
7 1 2 1856.94 104.06 1822.16 o
5 1 6 512.41 37.61 453.89 o
5 2 4 21.07 18.98 31.50 o
1 1 9 372.31 33.14 364.43 o
3 1 8 1465.34 85.07 1410.48 o
3 1 -9 373.22 31.45 340.65 o
1 2 -8 561.68 42.35 506.08 o
6 2 2 1896.14 108.45 1923.08 o
6 2 -4 1574.65 90.08 1544.19 o
0 2 8 583.99 44.53 582.02 o
4 3 -1 589.97 42.80 587.52 o
4 3 0 552.06 41.19 528.90 o
4 2 -7 27.11 8.47 23.61 o
2 3 4 174.88 19.55 178.24 o
1 3 -5 13.11 10.32 6.96 o
0 3 5 906.11 61.36 936.53 o
5 2 -6 25.57 8.51 18.80 o
2 2 -8 150.82 14.96 146.73 o
7 1 -5 389.79 32.64 362.07 o
5 1 -8 1227.12 75.91 1277.30 o
3 3 3 186.54 18.84 165.01 o
3 3 -4 473.29 38.77 487.91 o
8 0 -2 1639.28 94.21 1636.56 o
4 3 -2 10.60 13.66 10.56 o
6 1 5 22.00 8.07 5.16 o
4 3 1 1937.30 111.34 1976.19 o
6 1 -7 483.09 38.78 489.65 o
8 0 0 856.56 55.12 820.16 o
5 0 7 5194.56 269.59 5108.40 o
4 0 8 2450.51 133.67 2389.85 o
2 3 -5 4260.00 221.54 4137.66 o
2 0 -10 3745.47 205.03 3885.41 o
7 1 3 183.42 18.90 161.59 o
1 3 5 493.19 39.11 461.98 o
0 0 10 144.63 15.47 131.44 o
1 2 8 17.91 20.46 29.99 o
4 2 6 229.08 21.15 243.24 o
2 1 9 581.85 44.61 585.32 o
4 3 -3 905.27 61.21 993.18 o
3 2 7 26.57 9.03 19.34 o
3 2 -8 2.64 19.27 9.28 o
4 1 -9 1452.02 83.98 1402.50 o
6 2 3 197.36 19.42 177.19 o
6 2 -5 11.76 18.83 25.80 o
4 3 2 258.54 28.75 286.86 o
6 0 6 1616.05 95.50 1659.82 o
5 2 5 59.73 10.13 72.60 o
6 0 -8 2502.34 133.07 2341.47 o
3 0 9 869.05 59.81 949.72 o
8 0 -4 407.89 36.54 478.32 o
5 0 -9 985.33 63.06 1015.86 o
8 1 -1 653.10 44.65 621.21 o
3 3 4 1047.08 66.41 1058.53 o
3 3 -5 7.87 13.05 2.34 o
8 1 -2 415.90 35.12 420.37 o
7 1 -6 2051.76 117.73 2101.42 o
2 3 5 340.82 33.84 341.37 o
1 1 -10 1049.92 64.93 993.62 o
7 2 -1 1373.03 81.96 1370.40 o
8 1 0 160.16 15.17 138.78 o
7 2 -2 -0.92 17.37 0.04 o
4 3 -4 16.42 20.42 19.50 o
1 3 -6 872.24 58.71 871.26 o
5 1 7 171.24 17.49 191.11 o
2 2 8 1484.06 87.98 1434.64 o
4 1 8 274.46 23.27 239.36 o
7 2 0 -2.58 21.57 31.08 o
0 3 6 221.19 22.17 243.11 o
2 1 -10 23.65 18.81 0.10 o
5 2 -7 3279.64 178.24 3305.04 o
8 1 -3 1391.10 83.04 1392.73 o
0 1 10 17.81 21.89 73.97 o
8 0 2 1692.45 101.44 1807.92 o
7 0 -7 19.46 18.06 8.34 o
7 1 4 620.20 47.71 658.05 o
4 3 3 42.82 8.92 35.72 o
5 3 -1 618.64 45.94 630.06 o
7 2 -3 786.97 52.52 714.79 o
2 3 -6 289.54 24.48 306.53 o
4 2 -8 1108.50 68.92 1088.52 o
5 3 0 843.01 56.55 843.59 o
8 1 1 1772.40 101.68 1751.81 o
7 2 1 1252.07 78.28 1323.39 o
5 3 -2 410.00 35.38 396.76 o
1 3 6 338.54 37.95 380.23 o
6 2 4 503.29 43.00 578.75 o
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4 0 -10 838.75 58.62 907.47 o
6 2 -6 1517.68 88.16 1469.94 o
3 1 9 530.39 42.92 505.17 o
6 1 -8 2.84 21.02 9.24 o
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7 0 5 1032.01 68.85 1121.05 o
8 1 -4 310.86 32.07 300.38 o
5 1 -9 19.36 8.60 21.94 o
0 2 9 -20.25 21.76 0.73 o
1 1 10 245.99 23.86 264.93 o
2 0 10 3629.25 198.48 3712.04 o
5 3 1 89.42 10.36 89.45 o
2 2 -9 242.93 21.64 230.45 o
5 3 -3 -12.24 20.92 1.14 o
7 2 -4 61.20 9.69 54.23 o
4 3 -5 886.07 60.96 930.68 o
4 2 7 145.02 15.20 125.30 o
3 3 5 18.30 19.41 10.89 o
3 3 -6 806.22 57.24 896.48 o
7 2 2 127.94 12.43 108.50 o
8 1 2 -19.14 20.58 0.14 o
5 2 6 61.35 9.97 50.76 o
7 1 -7 561.90 44.45 544.76 o
1 2 9 336.78 34.41 359.98 o
5 3 2 362.35 35.57 404.69 o
4 3 4 3.00 20.11 8.28 o
3 2 8 159.35 16.33 136.15 o
2 3 6 9.48 21.38 8.05 o
3 2 -9 814.78 55.68 796.74 o
8 1 -5 873.36 58.66 853.69 o
1 0 -11 16.58 22.36 25.65 o
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4 1 -10 216.53 21.82 229.87 o
5 3 -4 1245.76 79.06 1272.77 o
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7 1 5 62.55 10.19 58.98 o
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5 2 -8 222.37 22.34 218.02 o
2 3 -7 865.91 60.47 893.08 o
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4 2 -9 30.48 21.29 11.01 o
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1 1 -11 40.26 10.24 27.36 o
5 3 -5 23.97 19.10 4.55 o
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6 3 -2 74.30 10.81 64.84 o
3 3 6 97.92 11.55 83.04 o
3 3 -7 516.76 42.87 504.02 o
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2 1 -11 709.75 53.28 723.16 o
0 4 1 4.77 22.35 1.05 o
1 4 0 14.01 14.74 3.58 o
0 1 11 744.26 52.83 702.92 o
8 2 -1 27.84 10.37 32.02 o
9 0 1 1607.59 96.55 1654.50 o
7 1 -8 725.59 51.69 685.63 o
1 4 -1 1988.89 116.33 2039.09 o
8 2 -2 2028.67 117.51 2055.91 o
7 2 -6 306.35 25.76 296.53 o
1 2 -10 216.42 22.31 212.34 o
1 4 1 668.88 49.50 661.83 o
5 1 -10 208.67 22.29 212.37 o
6 3 1 632.79 48.44 632.97 o
6 3 -3 302.22 24.62 274.70 o
8 2 0 1035.74 65.50 978.11 o
5 2 7 94.92 12.19 103.44 o
4 2 8 30.00 24.15 45.65 o
9 1 -1 1560.44 91.21 1489.10 o
9 1 -2 2144.48 121.21 2112.93 o
0 4 2 663.22 53.78 697.48 o
2 3 7 1123.80 72.09 1076.45 o
2 2 -10 460.59 44.52 536.15 o
3 1 10 1175.20 75.65 1185.35 o
8 2 -3 79.47 10.58 74.28 o
0 2 10 258.32 24.89 266.22 o
3 1 -11 24.98 9.47 8.99 o
1 4 -2 -11.86 20.14 0.07 o
5 3 4 834.00 55.60 781.28 o
7 2 4 5.04 22.03 10.58 o
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9 1 -3 467.50 40.99 460.13 o
1 4 2 302.66 34.09 331.45 o
2 4 0 1362.78 86.59 1459.43 o
8 1 4 5.80 22.77 16.21 o
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2 4 -1 95.22 11.28 80.56 o
1 1 11 116.87 13.57 139.54 o
8 2 1 420.86 37.92 369.41 o
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1 6 -9 106.04 15.99 73.91 o
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1 0 19 216.33 22.85 223.53 o
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14 3 -1 42.38 29.05 26.08 o
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1 6 9 127.36 18.70 122.71 o
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